SCHEMBL2815526

SCHEMBL2815526

COC(=O)C1CCc2ccc(-c3ccc(O)cc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
MIF P14174 2/20 0.40
FABP4 P15090 4/20 0.39
ANO1 Q5XXA6 1/20 0.39
MTNR1A P48039 2/20 0.39
NQO2 P16083 1/20 0.39
MTNR1B P49286 1/20 0.39
PPIB P23284 1/20 0.39
PPIA P62937 1/20 0.39
ABL1 P00519 2/20 0.38
ABCB1 P08183 2/20 0.38
BCR P11274 2/20 0.38
AKR1C3 P42330 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CYP26A1 O43174 1/20 0.37
HSD17B1 P14061 1/20 0.37
PIN1 Q13526 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2813791 0.89 AKR1C3 (0.42) ESR1ESR2MIFPPIBPPIA
SCHEMBL2812915 0.88 NQO2 (0.48) ESR1ESR2ANO1MTNR1ANQO2
SCHEMBL13999991 0.86 ESR1 (0.40) ESR1ESR2FABP4ANO1PPIB
SCHEMBL2815530 0.81 HSD17B1 (0.43) ESR1ESR2MIFABL1ABCB1
SCHEMBL9364487 0.80 AKR1C3 (0.50) ESR1ESR2AKR1C3HSD17B1
SCHEMBL23715022 0.78 HTR2A (0.41) MTNR1ANQO2MTNR1BPIN1
SCHEMBL21788517 0.78 PIN1 (0.51) MTNR1ANQO2MTNR1BPIN1
SCHEMBL2842735 0.78 MTNR1A (0.58) MTNR1ANQO2MTNR1B
SCHEMBL19469643 0.78 HTR2B (0.41) FABP4MTNR1AMAOAMAOBPIN1
SCHEMBL29609016 0.74 PIN1 (0.60) ANO1PPIBPPIAPIN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249179-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-09-30 US disclosed
US-20100249179-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-09-30 US disclosed
US-20100249179-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-09-30 US disclosed
EP-2170072-A1 FARNESOID X RECEPTOR AGONISTS GlaxoSmithKline LLC (US) 2010-04-07 EP disclosed
WO-2008157270-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 WO disclosed
WO-2008157270-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100249179-A1 Farnesoid X Receptor Agonists NR1H4, NR1H3, NR1H2 ESR1 451/4885ESR2 251/4885MIF 2738/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.